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CHEBI:184509 - (2S)-2-(Octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-hexadec-9-enoate

ChEBI IDCHEBI:184509
ChEBI Name(2S)-2-(Octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-hexadec-9-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H96O5
Net Charge0
Average Mass789.324
Monoisotopic Mass788.72578
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H96O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)48-56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h15,18,20,23,49H,4-14,16-17,19,21-22,24-48H2,1-3H3/b18-15-,23-20-/t49-/m0/s1
InChIKeyMIRPCUBTALEDQC-UHVGCUFSSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-(Octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-hexadec-9-enoate (CHEBI:184509) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2S)-2-octadecoxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-hexadec-9-enoate
Manual XrefsDatabases
59657533ChemSpider
HMDB0048392HMDB